2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC=C5)F

InChI

InChI=1S/C29H28FN3O2S/c1-19-9-10-20(2)22(15-19)18-36-29-31-26-16-21(27(34)32-13-4-3-5-14-32)11-12-25(26)28(35)33(29)24-8-6-7-23(30)17-24/h6-12,15-17H,3-5,13-14,18H2,1-2H3